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Diethylethyl(1-methylbutyl)malonat
DIETHYL ETHYL (1-METHYLBUTYL) MALONATE · Diethyl 2-ethyl-2-(pentan-2-yl)malonate · ETHYL 2-ETHYL-2-(1-METHYLBUTYL)MALONATE · diethyl 2-ethyl-2-pentan-2-ylpropanedioate · diethyl 2-ethyl-2-pentan-2-yl-propanedioate · ETHYL(1-METHYLBUTYL)-MALONIC ACID DIETHYL ESTER · Ethyl(1-methylbutyl)propanedioic acid diethyl ester · 2-Ethyl-2-(1-methylbutyl)-malonic acid diethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 76-72-2 |
|---|---|
| Summenformel | C14H26O4 |
| Durchschnittliche Molmasse | 258,35 g/mol |
| Monoisotopische Masse | 258,18310931 g/mol |
| SMILES | CCCC(C)C(CC)(C(=O)OCC)C(=O)OCC |
| InChIKey | ZQGOJSLHZOKIBV-UHFFFAOYSA-N |
| PubChem CID | 95450 |
| EC No. | 200-981-7 |
| DTXSID | DTXSID601018955 |
| Lokaler Name | Diethylethyl(1-methylbutyl)malonat |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 255 |
| Siedepunkt | 120-122 °C(Press: 8 Torr) |
| Dichte | 0.986 g/cm3 |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| CAS Datenbank | 76-72-2(CAS DataBase Reference) |
| EPA chemische Informationen | Propanedioic acid, ethyl(1-methylbutyl)-, diethyl ester (76-72-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.WarningH302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanedioic acid, ethyl(1-methylbutyl)-, diethyl esterREACH registered substance: Diethyl ethyl(1-methylbutyl)malonate (EC: 200-981-7) |
| Hazard Classes and Categories | Acute Tox. 4 (40%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Diethyl Ethyl(1-methylbutyl)malonate is used as a reagent in electrochemistry with urea to synthesize ureides from esters.